Efficient RhB degradation and antimicrobial activity with molecular docking study of polymers doped ZnSe nanostructure
Autor(a) principal: | |
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Data de Publicação: | 2024 |
Outros Autores: | , , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UNESP |
Texto Completo: | http://dx.doi.org/10.1016/j.inoche.2024.113478 https://hdl.handle.net/11449/302458 |
Resumo: | A facile coprecipitation approach was adopted to synthesize zinc selenide (ZnSe) doped with a fixed amount (3 wt%) of cetyltrimethylammonium bromide (CTAB) and different concentrations (2 and 4 wt%) of eudragit to form ternary nanostructure (NSs). Eud and CTAB inhibit the dimension and reduce the rate of recombination of NSs to intensify catalytic performance against rhodamine B (RhB) and bactericidal action against MDR Staphylococcus aureus (S. aureus). Doped ZnSe increase active sites, porosity, and surface area to enhance the degradation of RhB dye and antimicrobial efficacy to kill pathogenic S. aureus. Assessment of 4 wt% Eud/CTAB exhibited effective performance for degradation of RhB and bactericidal potential highlights an impressive 94.3 % degradation efficiency and 8.85 ± 0.05 mm of the inhibition zone against MDR S. aureus. Computational molecular docking studies suggest that NSs, such as Eud/CTAB-doped ZnSe, have the ability to inhibit the DNA gyrase enzyme in MDR S. aureus. |
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Efficient RhB degradation and antimicrobial activity with molecular docking study of polymers doped ZnSe nanostructureAntimicrobialCatalytic degradationEudragitMolecular dockingZinc selenideA facile coprecipitation approach was adopted to synthesize zinc selenide (ZnSe) doped with a fixed amount (3 wt%) of cetyltrimethylammonium bromide (CTAB) and different concentrations (2 and 4 wt%) of eudragit to form ternary nanostructure (NSs). Eud and CTAB inhibit the dimension and reduce the rate of recombination of NSs to intensify catalytic performance against rhodamine B (RhB) and bactericidal action against MDR Staphylococcus aureus (S. aureus). Doped ZnSe increase active sites, porosity, and surface area to enhance the degradation of RhB dye and antimicrobial efficacy to kill pathogenic S. aureus. Assessment of 4 wt% Eud/CTAB exhibited effective performance for degradation of RhB and bactericidal potential highlights an impressive 94.3 % degradation efficiency and 8.85 ± 0.05 mm of the inhibition zone against MDR S. aureus. Computational molecular docking studies suggest that NSs, such as Eud/CTAB-doped ZnSe, have the ability to inhibit the DNA gyrase enzyme in MDR S. aureus.Solar Cell Applications Research Lab Department of Physics Government College University Lahore, PunjabDepartment of Clinical Sciences Faculty of Veterinary and Animal Sciences Muhammad Nawaz Shareef University of Agriculture, PunjabDepartment of Pharmacy COMSAT University Lahore CampusCore Research Facilities King Fahd University of Petroleum & MineralsDepartment of Physics and Meteorology School of Sciences Sao Paulo State University (UNESP), Sao PauloDepartamento de ingeniería eléctrica Facultad de ingeniería Universidad Católica de la Santísima Concepción, Alonso de Ribera 2850Biology Department College of Science King Khalid University, P.O. Box 960Department of Physics and Meteorology School of Sciences Sao Paulo State University (UNESP), Sao PauloGovernment College University LahoreUniversity of AgricultureCOMSAT University Lahore CampusKing Fahd University of Petroleum & MineralsUniversidade Estadual Paulista (UNESP)Universidad Católica de la Santísima ConcepciónKing Khalid UniversityIrshad, AhmadIkram, MuhammadHaider, AliShahzadi, AnumUl-Hamid, AnwarUllah, Hameed [UNESP]Nisar, MuhammadAyari-Akkari, Amel2025-04-29T19:14:39Z2024-12-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://dx.doi.org/10.1016/j.inoche.2024.113478Inorganic Chemistry Communications, v. 170.1387-7003https://hdl.handle.net/11449/30245810.1016/j.inoche.2024.1134782-s2.0-85208680146Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengInorganic Chemistry Communicationsinfo:eu-repo/semantics/openAccess2025-04-30T14:03:01Zoai:repositorio.unesp.br:11449/302458Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestrepositoriounesp@unesp.bropendoar:29462025-04-30T14:03:01Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
dc.title.none.fl_str_mv |
Efficient RhB degradation and antimicrobial activity with molecular docking study of polymers doped ZnSe nanostructure |
title |
Efficient RhB degradation and antimicrobial activity with molecular docking study of polymers doped ZnSe nanostructure |
spellingShingle |
Efficient RhB degradation and antimicrobial activity with molecular docking study of polymers doped ZnSe nanostructure Irshad, Ahmad Antimicrobial Catalytic degradation Eudragit Molecular docking Zinc selenide |
title_short |
Efficient RhB degradation and antimicrobial activity with molecular docking study of polymers doped ZnSe nanostructure |
title_full |
Efficient RhB degradation and antimicrobial activity with molecular docking study of polymers doped ZnSe nanostructure |
title_fullStr |
Efficient RhB degradation and antimicrobial activity with molecular docking study of polymers doped ZnSe nanostructure |
title_full_unstemmed |
Efficient RhB degradation and antimicrobial activity with molecular docking study of polymers doped ZnSe nanostructure |
title_sort |
Efficient RhB degradation and antimicrobial activity with molecular docking study of polymers doped ZnSe nanostructure |
author |
Irshad, Ahmad |
author_facet |
Irshad, Ahmad Ikram, Muhammad Haider, Ali Shahzadi, Anum Ul-Hamid, Anwar Ullah, Hameed [UNESP] Nisar, Muhammad Ayari-Akkari, Amel |
author_role |
author |
author2 |
Ikram, Muhammad Haider, Ali Shahzadi, Anum Ul-Hamid, Anwar Ullah, Hameed [UNESP] Nisar, Muhammad Ayari-Akkari, Amel |
author2_role |
author author author author author author author |
dc.contributor.none.fl_str_mv |
Government College University Lahore University of Agriculture COMSAT University Lahore Campus King Fahd University of Petroleum & Minerals Universidade Estadual Paulista (UNESP) Universidad Católica de la Santísima Concepción King Khalid University |
dc.contributor.author.fl_str_mv |
Irshad, Ahmad Ikram, Muhammad Haider, Ali Shahzadi, Anum Ul-Hamid, Anwar Ullah, Hameed [UNESP] Nisar, Muhammad Ayari-Akkari, Amel |
dc.subject.por.fl_str_mv |
Antimicrobial Catalytic degradation Eudragit Molecular docking Zinc selenide |
topic |
Antimicrobial Catalytic degradation Eudragit Molecular docking Zinc selenide |
description |
A facile coprecipitation approach was adopted to synthesize zinc selenide (ZnSe) doped with a fixed amount (3 wt%) of cetyltrimethylammonium bromide (CTAB) and different concentrations (2 and 4 wt%) of eudragit to form ternary nanostructure (NSs). Eud and CTAB inhibit the dimension and reduce the rate of recombination of NSs to intensify catalytic performance against rhodamine B (RhB) and bactericidal action against MDR Staphylococcus aureus (S. aureus). Doped ZnSe increase active sites, porosity, and surface area to enhance the degradation of RhB dye and antimicrobial efficacy to kill pathogenic S. aureus. Assessment of 4 wt% Eud/CTAB exhibited effective performance for degradation of RhB and bactericidal potential highlights an impressive 94.3 % degradation efficiency and 8.85 ± 0.05 mm of the inhibition zone against MDR S. aureus. Computational molecular docking studies suggest that NSs, such as Eud/CTAB-doped ZnSe, have the ability to inhibit the DNA gyrase enzyme in MDR S. aureus. |
publishDate |
2024 |
dc.date.none.fl_str_mv |
2024-12-01 2025-04-29T19:14:39Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://dx.doi.org/10.1016/j.inoche.2024.113478 Inorganic Chemistry Communications, v. 170. 1387-7003 https://hdl.handle.net/11449/302458 10.1016/j.inoche.2024.113478 2-s2.0-85208680146 |
url |
http://dx.doi.org/10.1016/j.inoche.2024.113478 https://hdl.handle.net/11449/302458 |
identifier_str_mv |
Inorganic Chemistry Communications, v. 170. 1387-7003 10.1016/j.inoche.2024.113478 2-s2.0-85208680146 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Inorganic Chemistry Communications |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.source.none.fl_str_mv |
Scopus reponame:Repositório Institucional da UNESP instname:Universidade Estadual Paulista (UNESP) instacron:UNESP |
instname_str |
Universidade Estadual Paulista (UNESP) |
instacron_str |
UNESP |
institution |
UNESP |
reponame_str |
Repositório Institucional da UNESP |
collection |
Repositório Institucional da UNESP |
repository.name.fl_str_mv |
Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP) |
repository.mail.fl_str_mv |
repositoriounesp@unesp.br |
_version_ |
1834482670668611584 |